@MOLECULE taxane 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.1912 -0.9136 -0.2060 C.3 1 UNL1111111111 0.1076 2 C 1.5392 -0.6758 0.8649 C.3 1 UNL1111111111 0.0936 3 C -1.3022 -0.6644 -1.4489 C.3 1 UNL1111111111 -0.1160 4 C 1.0531 -0.0973 -0.4800 C.3 1 UNL1111111111 -0.1511 5 C -1.9110 0.0741 0.9537 C.3 1 UNL1111111111 -0.1302 6 C 0.1880 -1.0637 -1.3039 C.3 1 UNL1111111111 -0.2920 7 C -1.6338 1.5239 0.4633 C.3 1 UNL1111111111 -0.0939 8 C 0.3554 -1.2089 1.7135 C.3 1 UNL1111111111 -0.3056 9 C -0.8427 -0.3021 2.0205 C.3 1 UNL1111111111 -0.2763 10 C 2.1713 0.5470 -1.3387 C.3 1 UNL1111111111 -0.0824 11 C -1.4343 0.7810 -1.9801 C.3 1 UNL1111111111 -0.2799 12 C 2.2500 0.4541 1.6475 C.3 1 UNL1111111111 -0.2934 13 C -2.0344 1.7899 -0.9922 C.3 1 UNL1111111111 -0.2792 14 C 2.8892 1.6274 -0.5050 C.3 1 UNL1111111111 -0.2833 15 C 3.3869 1.0931 0.8421 C.3 1 UNL1111111111 -0.2590 16 C -2.1238 -2.3905 0.2344 C.3 1 UNL1111111111 -0.4694 17 C -3.6839 -0.7443 -0.6301 C.3 1 UNL1111111111 -0.4745 18 C 2.4973 -1.8728 0.7003 C.3 1 UNL1111111111 -0.4650 19 C -2.3451 2.5335 1.3772 C.3 1 UNL1111111111 -0.4596 20 C 3.1760 -0.4248 -1.9648 C.3 1 UNL1111111111 -0.4494 21 H -1.7050 -1.3434 -2.2491 H 1 UNL1111111111 0.1254 22 H 0.4000 0.7736 -0.1907 H 1 UNL1111111111 0.1626 23 H -2.8747 0.1123 1.5344 H 1 UNL1111111111 0.1319 24 H 0.2526 -2.0852 -0.8887 H 1 UNL1111111111 0.1400 25 H 0.6045 -1.1534 -2.3277 H 1 UNL1111111111 0.1345 26 H -0.5268 1.7121 0.5384 H 1 UNL1111111111 0.1409 27 H 0.7736 -1.5262 2.6949 H 1 UNL1111111111 0.1315 28 H -0.0015 -2.1480 1.2470 H 1 UNL1111111111 0.1482 29 H -1.3952 -0.7995 2.8493 H 1 UNL1111111111 0.1276 30 H -0.4562 0.6386 2.4640 H 1 UNL1111111111 0.1354 31 H 1.6535 1.0687 -2.1873 H 1 UNL1111111111 0.1214 32 H -2.0585 0.7696 -2.8944 H 1 UNL1111111111 0.1288 33 H -0.4436 1.1442 -2.3144 H 1 UNL1111111111 0.1388 34 H 2.6434 0.0567 2.6000 H 1 UNL1111111111 0.1322 35 H 1.5118 1.2306 1.9228 H 1 UNL1111111111 0.1360 36 H -1.7141 2.8114 -1.2766 H 1 UNL1111111111 0.1302 37 H -3.1380 1.7995 -1.0832 H 1 UNL1111111111 0.1360 38 H 2.1969 2.4732 -0.3319 H 1 UNL1111111111 0.1317 39 H 3.7363 2.0412 -1.0816 H 1 UNL1111111111 0.1314 40 H 4.1978 0.3584 0.6815 H 1 UNL1111111111 0.1336 41 H 3.8404 1.9156 1.4262 H 1 UNL1111111111 0.1255 42 H -2.6229 -3.0429 -0.4897 H 1 UNL1111111111 0.1410 43 H -1.0954 -2.7601 0.3245 H 1 UNL1111111111 0.1506 44 H -2.6095 -2.5308 1.2049 H 1 UNL1111111111 0.1434 45 H -3.9477 0.2958 -0.8349 H 1 UNL1111111111 0.1477 46 H -3.9033 -1.3183 -1.5340 H 1 UNL1111111111 0.1394 47 H -4.3551 -1.0951 0.1592 H 1 UNL1111111111 0.1381 48 H 2.1053 -2.6021 -0.0144 H 1 UNL1111111111 0.1414 49 H 3.4788 -1.5551 0.3354 H 1 UNL1111111111 0.1492 50 H 2.6641 -2.3870 1.6516 H 1 UNL1111111111 0.1364 51 H -2.0896 3.5627 1.1047 H 1 UNL1111111111 0.1413 52 H -3.4337 2.4357 1.3134 H 1 UNL1111111111 0.1417 53 H -2.0613 2.3903 2.4252 H 1 UNL1111111111 0.1423 54 H 2.6971 -1.3615 -2.2682 H 1 UNL1111111111 0.1443 55 H 3.6426 0.0142 -2.8528 H 1 UNL1111111111 0.1340 56 H 3.9840 -0.6821 -1.2718 H 1 UNL1111111111 0.1446 @BOND 1 1 3 1 2 1 5 1 3 1 16 1 4 1 17 1 5 2 4 1 6 2 8 1 7 2 12 1 8 2 18 1 9 3 6 1 10 3 11 1 11 3 21 1 12 4 6 1 13 4 10 1 14 4 22 1 15 5 7 1 16 5 9 1 17 5 23 1 18 6 24 1 19 6 25 1 20 7 13 1 21 7 19 1 22 7 26 1 23 8 9 1 24 8 27 1 25 8 28 1 26 9 29 1 27 9 30 1 28 10 14 1 29 10 20 1 30 10 31 1 31 11 13 1 32 11 32 1 33 11 33 1 34 12 15 1 35 12 34 1 36 12 35 1 37 13 36 1 38 13 37 1 39 14 15 1 40 14 38 1 41 14 39 1 42 15 40 1 43 15 41 1 44 16 42 1 45 16 43 1 46 16 44 1 47 17 45 1 48 17 46 1 49 17 47 1 50 18 48 1 51 18 49 1 52 18 50 1 53 19 51 1 54 19 52 1 55 19 53 1 56 20 54 1 57 20 55 1 58 20 56 1